Search Result "prediction of binding affinity"


Review Article

Supervised Machine Learning Methods Applied to Predict Ligand- Binding Affinity

Journal: Current Medicinal Chemistry
Volume: 24 Issue: 23 Year: 2017 Page: 2459-2470
Author(s): Gabriela S. Heck,Val O. Pintro,Richard R. Pereira,Mauricio B. de Ávila,Nayara M.B. Levin,Walter F. de Azevedo

Review Article

Structure-based Methods for Binding Mode and Binding Affinity Prediction for Peptide-MHC Complexes

Journal: Current Topics in Medicinal Chemistry
Volume: 18 Issue: 26 Year: 2018 Page: 2239-2255
Author(s): Dinler A. Antunes,Jayvee R. Abella,Didier Devaurs,Maurício M. Rigo,Lydia E. Kavraki

Toward Prediction of Binding Affinities Between the MHC Protein and Its Peptide Ligands Using Quantitative Structure-Affinity Relationship Approach

Journal: Protein & Peptide Letters
Volume: 15 Issue: 1 Year: 2008 Page: 1033-1043
Author(s): Feifei Tian, Fenglin Lv, Peng Zhou, Qinwu Yang, Abraham F. Jalbout

Tuning the Solvation Term in the MM-PBSA/GBSA Binding Affinity Predictions

Ebook: Frontiers in Computational Chemistry
Volume: 1 Year: 2015
Author(s): Irene Maffucci,Alessandro Contini
Doi: 10.2174/9781608058648115010005

Computational Methods for Calculation of Ligand-Binding Affinity

Journal: Current Drug Targets
Volume: 9 Issue: 1 Year: 2008 Page: 1031-1039
Author(s): Walter Filgueira de Azevedo Jr., Raquel Dias

Predicting Affinity and Specificity of Antigenic Peptide Binding to Major Histocompatibility Class I Molecules

Journal: Current Protein & Peptide Science
Volume: 10 Issue: 3 Year: 2009 Page: 286-296
Author(s): Florian Sieker, Andreas May, Martin Zacharias

Evaluation of Measuring Methods of Human Serum Albumin-Drug Binding Affinity

Journal: Current Pharmaceutical Analysis
Volume: 3 Issue: 3 Year: 2007 Page: 205-212
Author(s): Toshihiko Hanai

Research Article

Predicting Binding Affinity Between MHC-I Receptor and PeptidesBased on Molecular Docking and Protein-peptide Interaction InterfaceCharacteristics

Journal: Letters in Drug Design & Discovery
Volume: 20 Issue: 12 Year: 2023 Page: 1982-1993
Author(s):

Review Article

The Impact of Crystallographic Data for the Development of Machine Learning Models to Predict Protein-Ligand Binding Affinity

Journal: Current Medicinal Chemistry
Volume: 28 Issue: 34 Year: 2021 Page: 7006-7022
Author(s): Martina Veit-Acosta,Walter Filgueira de Azevedo Junior

Comparison of performance of docking, LIE, metadynamics and QSAR in predicting binding affinity of benzenesulfonamides

Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 3 Year: 2015 Page: 237-244
Author(s): Vytautas Raškevičius,Visvaldas Kairys

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